Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: AZETIRELIN
Compound Identifier: 702864
Mol Structure 2D: 702864
Molecular Weight: 348
Formula: C15 H20 N6 O4
Development Status: Clinical, Phase II/III
SMILES: NC(=O)C1CCCN1C(=O)C(Cc2cnc[nH]2)NC(=O)C3CC(=O)N3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223062D 0 0.00000 0.00000 0^^ 28 30 0 1 0 999 V2000^ 1.5792 -1.5417 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.6667 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6667 0.0625 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.0208 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9208 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2875 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9958 1.0083 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.4000 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.5375 -1.1125 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.2625 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3125 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6292 2.6958 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3000 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3667 1.1208 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.5750 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8542 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2500 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4000 1.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2208 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.9000 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2667 -1.4667 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6875 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2500 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7250 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4792 -0.3042 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.6667 1.1500 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.9958 2.0833 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 7 1 0 0 0^ 5 8 1 0 0 0^ 6 10 1 0 0 0^ 7 5 1 6 0 0^ 8 3 1 0 0 0^ 9 1 1 0 0 0^ 10 7 1 0 0 0^ 9 11 1 6 0 0^ 12 17 1 0 0 0^ 3 13 1 1 0 0^ 14 13 1 0 0 0^ 15 14 1 0 0 0^ 16 15 1 0 0 0^ 17 14 2 0 0 0^ 18 2 2 0 0 0^ 19 5 2 0 0 0^ 20 6 2 0 0 0^ 21 11 2 0 0 0^ 22 11 1 0 0 0^ 23 1 1 0 0 0^ 24 9 1 0 0 0^ 25 23 1 0 0 0^ 9 26 1 1 0 0^ 3 27 1 6 0 0^ 7 28 1 1 0 0^ 25 24 1 0 0 0^ 16 12 2 0 0 0^ 6 4 1 0 0 0^M END^^
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